Information card for entry 7159276

Structure parameters

• Formula: C17 H14 F N O2
• Calculated formula: C17 H14 F N O2
• SMILES: Fc1ccc(c2nc3c(cc2)c(OC)cc(OC)c3)cc1
• Title of publication: Concise synthesis of 2,3-disubstituted quinoline derivatives <i>via</i> ruthenium-catalyzed three-component deaminative coupling reaction of anilines, aldehydes and amines.
• Authors of publication: Shakenov, Aldiyar; Gnyawali, Krishna Prasad; Yi, Chae S.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 17
• Pages of publication: 3582 - 3587
• a: 26.2945 ± 0.0005 Å
• b: 3.86139 ± 0.00006 Å
• c: 25.3106 ± 0.0004 Å
• α: 90°
• β: 94.4637 ± 0.0017°
• γ: 90°
• Cell volume: 2562.07 ± 0.08 ų
• Cell temperature: 99.95 ± 0.1 K
• Ambient diffraction temperature: 99.95 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No